CID 92012255

2-o-p-coumaroyltartronic acid

Structural Information

Molecular Formula
C12H10O7
SMILES
C1=CC(=CC=C1/C=C/C(=O)OC(C(=O)O)C(=O)O)O
InChI
InChI=1S/C12H10O7/c13-8-4-1-7(2-5-8)3-6-9(14)19-10(11(15)16)12(17)18/h1-6,10,13H,(H,15,16)(H,17,18)/b6-3+
InChIKey
RWROLZXFRYSDLG-ZZXKWVIFSA-N
Compound name
2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxypropanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.04266 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.04994 154.1
[M+Na]+ 289.03188 159.4
[M-H]- 265.03538 153.5
[M+NH4]+ 284.07648 167.7
[M+K]+ 305.00582 158.0
[M+H-H2O]+ 249.03992 148.1
[M+HCOO]- 311.04086 171.4
[M+CH3COO]- 325.05651 187.9
[M+Na-2H]- 287.01733 153.9
[M]+ 266.04211 154.5
[M]- 266.04321 154.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.